4WGG
STRUCTURE OF THE TERNARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP AND CONIFERYL ALDEHYDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-15 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.748, 77.889, 155.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.900 - 2.400 |
R-factor | 0.1942 |
Rwork | 0.190 |
R-free | 0.27880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nh4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.704 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.950 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.409 | |
Number of reflections | 26690 | |
<I/σ(I)> | 11.23 | 2.49 |
Completeness [%] | 94.5 | 92.5 |
Redundancy | 2.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | PEG 1500 25%, PCB 100 mM, NaN3 3mM |